(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride

C8H10ClF2N — CID 171199137

IUPAC(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1cccc(F)c1
InChIInChI=1S/C8H9F2N.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8H,5,11H2;1H/t8-;/m1./s1
InChIKeyBODXEGILDPHOKU-DDWIOCJRSA-N
MW193.62 g/mol
LogP2.22
Rot. Bonds2

About (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride

(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride (PubChem CID 171199137) has the molecular formula C8H10ClF2N and a molecular weight of 193.62 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
PubChem CID171199137
Molecular FormulaC8H10ClF2N
Molecular Weight193.62 g/mol
Exact Mass193.05
IUPAC Name(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1cccc(F)c1
InChIInChI=1S/C8H9F2N.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8H,5,11H2;1H/t8-;/m1./s1
InChIKeyBODXEGILDPHOKU-DDWIOCJRSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
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(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride (CID 171199137) is (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride is Cl.N[C@H](CF)c1cccc(F)c1.
What is the InChIKey of (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is BODXEGILDPHOKU-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9F2N.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8H,5,11H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride?
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 193.62 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171199137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).